Protein modeling and molecular dynamics simulation of cloned Regucalcin (RGN) gene from Bubalus bubalis.

Protein modeling and molecular dynamics simulation of cloned Regucalcin (RGN) gene from Bubalus bubalis.
Comb Chem High Throughput Screen. 2016 Dec 20;
Authors: Pillai H, Yadav BS, Chaturvedi N, Jan AT, Gupta GK, Baig MH, Bhure SK
Abstract
Regucalcin (RGN), a calcium regulating protein having anti prolific, anti-apoptotic functions, plays important part in the biosynthesis of ascorbic acid. It is a highly conserved protein that has been reported from many tissue types of various vertebrate species. Employing its effect of regulating enzyme activities through reaction with sulfhydryl group (-SH) and calcium, structural level study is believed to offer a better understanding of its binding properties along with information exploited as part of the regulatory mechanisms of RGN. After successfully achieving amplification corresponding to regucalcin (RGN) gene from testis of Bubalus bubalis, it was subjected to characterization by performing digestion using different restriction endonucleases (RE). Alongside, cDNA was cloned into pPICZαC vector and transformed in DH5α host for custom sequencing. To get a better insight of its structural characteristics, three dimensional (3D) structure of protein sequence was generated using insilico molecular modelling approach. The full trajectory analysis of structure was achieved by the Molecular Dynamics (MD), explaining the stability, flexibility and robustness of protein during simulation in a ti...

Source: Combinatorial Chemistry and High Throughput Screening - December 19, 2016 Category: Chemistry Authors: Pillai H, Yadav BS, Chaturvedi N, Jan AT, Gupta GK, Baig MH, Bhure SK Tags: Comb Chem High Throughput Screen Source Type: research